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Lattice dynamics of tetragonal R 2 BaCuO 5 (R = La, Nd) oxides in the P 4/ mbm structure
Author(s) -
Gupta H. C.,
Sharma V.
Publication year - 2007
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1737
Subject(s) - raman spectroscopy , tetragonal crystal system , infrared , phonon , force constant , wavenumber , chemistry , analytical chemistry (journal) , lattice constant , lattice (music) , crystal structure , molecular vibration , condensed matter physics , mineralogy , materials science , crystallography , physics , optics , molecule , diffraction , organic chemistry , chromatography , acoustics
A short‐range force constant model (SRFCM) has been applied to investigate the Raman and the infrared wavenumbers in R 2 BaCuO 5 (R = La, Nd) in their tetragonal phase of space group P 4/ mbm . Calculations of zone‐center phonons are made with six stretching and five bending force constants. All the Raman and infrared values are then assigned to their corresponding modes. The force constants were evaluated by fitting ten Raman and eight infrared modes. The calculated Raman and infrared modes show good agreement with the observed values. Copyright © 2007 John Wiley & Sons, Ltd.